285006 <common-name>1-chloro-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene</common-name> <description>1-chloro-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene belongs to the phenol ethers, a class of benzenoids within the organic compounds. It has the formula C12H18ClNO4S2 and an average molecular weight of 339.90 g/mol.</description> <cas>21224-72-6</cas> <pubchem-id>210369</pubchem-id> <chemical-formula>C12H18ClNO4S2</chemical-formula> <weight>339.9</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-27T20:38:42Z</created-at> <updated-at type="dateTime">2026-08-27T20:38:42Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1=CC(=CC=C1OCCCCNCCSS(=O)(=O)O)Cl</moldb-smiles> <moldb-formula>C12H18ClNO4S2</moldb-formula> <moldb-inchi>InChI=1S/C12H18ClNO4S2/c13-11-3-5-12(6-4-11)18-9-2-1-7-14-8-10-19-20(15,16)17/h3-6,14H,1-2,7-10H2,(H,15,16,17)</moldb-inchi> <moldb-inchikey>JEUPZIGXJYBQFS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">339.0365781</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM280899</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>1-chloro-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0236845</sync-id> <structure-inchikey>JEUPZIGXJYBQFS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800002001800000000000000000000000080000000000000000000000000200000020000000000000000000000000000000000000000000000000000400000008000000000000020001000000100000200000000000010000000010080000000000000000000000000000000000000000000000900000021000000020000000004000000000080000002000000000004000040000000000000000020000000000000080000000000000000080000080000000000000000000000000000000000000000000000000010000000000000000200000000000000000000000000000040000000010000000000000000000000000000000002</structure-fingerprint> <structure-pattern-fingerprint>500000008122020080000100010820000000000000052000003000400200000440020844009000000000410000800000042000a4008c30010000643000a04000c4510400020006101090100000e2000000000500400000b2404084220000c1000c200406004082000000000054340041304080500101a004111800000211040200400008044080080c020200080c0008111c0012640014020300080000404080c04300001010c00000000840017c27100ac000000841084010009000004002100000028404000002018000000465028000000000420040000d000000080000000000081010000000000000021012200000100010806200060000000050000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFAAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAgAKAAAAAMC BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIHAGAAAAACAQYAYAAA AAICBgBgAAAAAgIQACAAAAACEAAgAAAABggAKAAAAAMCCAAoAAAAAwIIAGAA AAABAREAIAAAAAELAAFoDAECaAwCA2gMAwRoDAQFaAwFBiAGBwAHCAAICQAJ CgAKCwALDAAMDQANDgAODwAPEAgCDxEIAg8SAAITAAUAaAxCAQAAAAYABQQD AgEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:59:06Z</structure-indexed-at> </compound>